N-cyclohexyl-1-hexylcyclobutane-1-carboxamide

C17H31NO — CID 57011440

IUPACN-cyclohexyl-1-hexylcyclobutane-1-carboxamide
SMILESCCCCCCC1(C(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C17H31NO/c1-2-3-4-8-12-17(13-9-14-17)16(19)18-15-10-6-5-7-11-15/h15H,2-14H2,1H3,(H,18,19)
InChIKeyQSMKOGIDRGHMRR-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.58
Rot. Bonds7

About N-cyclohexyl-1-hexylcyclobutane-1-carboxamide

N-cyclohexyl-1-hexylcyclobutane-1-carboxamide (PubChem CID 57011440) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-cyclohexyl-1-hexylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-hexylcyclobutane-1-carboxamide
PubChem CID57011440
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-cyclohexyl-1-hexylcyclobutane-1-carboxamide
SMILESCCCCCCC1(C(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C17H31NO/c1-2-3-4-8-12-17(13-9-14-17)16(19)18-15-10-6-5-7-11-15/h15H,2-14H2,1H3,(H,18,19)
InChIKeyQSMKOGIDRGHMRR-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 57184361
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CID 108972201
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
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1-octylcyclononane-1-carboxylic acid
CID 71245674
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
1-decylcyclobutane-1-carboxamide
CID 10037267
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
CID 108971049
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-hexylcyclobutane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-hexylcyclobutane-1-carboxamide (CID 57011440) is N-cyclohexyl-1-hexylcyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-hexylcyclobutane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-hexylcyclobutane-1-carboxamide is CCCCCCC1(C(=O)NC2CCCCC2)CCC1.
What is the InChIKey of N-cyclohexyl-1-hexylcyclobutane-1-carboxamide?
The InChIKey is QSMKOGIDRGHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-3-4-8-12-17(13-9-14-17)16(19)18-15-10-6-5-7-11-15/h15H,2-14H2,1H3,(H,18,19).
What are the key properties of N-cyclohexyl-1-hexylcyclobutane-1-carboxamide?
N-cyclohexyl-1-hexylcyclobutane-1-carboxamide has a molecular weight of 265.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-hexylcyclobutane-1-carboxamide is sourced from PubChem (CID 57011440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).